(5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol

C8H6ClNOS2 — CID 130619430

IUPAC(5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)c1ccc(Cl)s1
InChIInChI=1S/C8H6ClNOS2/c9-7-2-1-6(13-7)8(11)5-3-4-12-10-5/h1-4,8,11H
InChIKeyWFQFFNQUZQUAPD-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.94
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol

(5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 130619430) has the molecular formula C8H6ClNOS2 and a molecular weight of 231.73 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID130619430
Molecular FormulaC8H6ClNOS2
Molecular Weight231.73 g/mol
Exact Mass230.96
IUPAC Name(5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)c1ccc(Cl)s1
InChIInChI=1S/C8H6ClNOS2/c9-7-2-1-6(13-7)8(11)5-3-4-12-10-5/h1-4,8,11H
InChIKeyWFQFFNQUZQUAPD-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Chlorothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105087424
(5-Chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 105119736
(3-Chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 107361972
1-(5-Chlorothiophen-2-yl)-2-(thiadiazol-4-yl)ethanol
CID 126980909
(3-Chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604815
(2-Chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130606658
(5-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130625390
(2-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130631086
1,2-Thiazol-3-yl(thiophen-2-yl)methanol
CID 130658815
(3-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130736495
(4-Chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 130856980
(4,5-Dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130857207

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol (CID 130619430) is (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is WFQFFNQUZQUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS2/c9-7-2-1-6(13-7)8(11)5-3-4-12-10-5/h1-4,8,11H.
What are the key properties of (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
(5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 231.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130619430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).